Phenol

Phenol

SCHEMBL28149362

C=O.CCC.Oc1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
GLA P06280 1/20 0.61
CA3 P07451 1/20 0.61
CA4 P22748 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
ESR1 P03372 11/20 0.44
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43
ESR2 Q92731 6/20 0.43
CYP19A1 P11511 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CES2 O00748 2/20 0.42
ALDH1A1 P00352 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Phenol SCHEMBL28550524 0.92 TDP1 (0.58) TDP1CA12CA1CA2GLA
Phenol SCHEMBL6276419 0.91 CA12 (0.73) TDP1CA12CA1CA2GLA
Phenol SCHEMBL27675137 0.91 CA12 (0.73) TDP1CA12CA1CA2GLA
Phenol SCHEMBL1885111 0.91 CA12 (0.73) TDP1CA12CA1CA2GLA
Phenol SCHEMBL27849524 0.91 CA12 (0.73) TDP1CA12CA1CA2GLA
Phenol SCHEMBL28170490 0.91 TDP1 (0.50) TDP1CA12CA1CA2GLA
Phenol SCHEMBL11334963 0.90 CA12 (0.55) TDP1CA12CA1CA2GLA
Phenol SCHEMBL27829564 0.88 TDP1 (0.69) TDP1CA12CA1CA2GLA
Phenol SCHEMBL27757780 0.88 CA12 (0.69) TDP1CA12CA1CA2GLA
Phenol SCHEMBL7783127 0.88 CA12 (0.79) TDP1CA12CA1CA2GLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104610811-B Can be used for the anti-forgery ink composition of judicial expertise and its application 中钞油墨有限公司 2017-05-31 CN claimed